News & Research

arXiv:2606.01566v1 Announce Type: new Abstract: Small-to-medium scientific datasets place machine learning pipelines under two compounding pressures. Single-run feature selection produces feature sets that change substantially under small perturbations of the training data, and any procedure that uses the same data for selection, tuning, and evaluation produces optimistically biased performance estimates. The two failure modes are routinely treated as separable, but in the regimes where scientific data live, they interact: an unstable selection inflates the variance of an already-optimistic score, and standard remedies for one rarely address the other. RobustModelMaker is a Python framework that couples bootstrap stability selection with strict nested cross-validation, performs all preprocessing and selection inside each fold, and produces a stability-tested feature subset together with a leakage-safe performance estimate. The framework supports nine algorithms across binary classifica

arXiv:2606.01595v1 Announce Type: new Abstract: Bayesian inference provides a principled framework for modeling epistemic uncertainty in neural networks by treating predictions as distributions rather than deterministic values. Meanwhile, diffusion-based models for 3D molecular graph generation operate on fragile geometric structures governed by strict chemical constraints, making inference highly sensitive to uncertainty miscalibration. A largely overlooked issue is that epistemic uncertainty arising from the learned denoiser interacts with the aleatoric uncertainty intentionally injected during reverse diffusion, leading to systematic variance inflation and a mismatch between the true distribution and the simulated distribution. This effect is particularly detrimental for high-precision molecular generation, where even small deviations can violate chemical validity. In this work, we provide a theoretical and empirical analysis of how epistemic uncertainty propagates through diffusion

arXiv:2606.01626v1 Announce Type: new Abstract: Planning with a learned latent world model is a promising route to control from raw pixels, but a strong world model alone is not enough. We show this experimentally: even with a perfect world model (operationalized by replacing the learned forward predictor with an idealized rollout of the true environment dynamics), a finite-budget sample-based planner still fails on some tasks, indicating that the bottleneck can lie in search rather than in world-model accuracy. Motivated by this gap, we propose IMWM (Intuition Model + World Model), which pairs the world model with an intuition model trained from demonstrations to recognize promising actions. The two models collaborate through three lightweight components: (i) Retrieval Initialization, which initializes the planner's action proposal from a retrieved demonstration; (ii) Hybrid Cost, which combines the intuition score with the world-model rollout cost; and (iii) a Reliability Gate, which

arXiv:2606.01660v1 Announce Type: new Abstract: Pre-propagation graph neural networks (PPGNNs) push all graph-dependent computation into a preprocessing step and train only on the resulting dense hop features, which makes them highly scalable. A puzzle in this regime is that more complex hop aggregators do not reliably outperform simpler ones: on many benchmarks, a plain MLP-based aggregator matches or beats hop-attention variants. We revisit this behavior from a graph-filter perspective. Over a precomputed diffusion basis, existing PPGNNs differ mainly in how filter coefficients are shared across nodes and feature channels, rather than simply in raw aggregator capacity. MLP-based architectures learn channel-dependent filters that are largely shared across nodes, while hop-attention-based architectures learn node-dependent mixtures that are largely shared across channels. This reveals a missing regime in standard PPGNN designs: joint node- and channel-adaptive filtering under the pre-p

arXiv:2606.01667v1 Announce Type: new Abstract: Test-time scaling has become a major way to improve large language model reasoning, but its orchestration has remained designer-engineered: a fixed sample budget, a fixed refinement loop, a fixed scoring rule, or a fixed search policy decides how compute is spent, leaving the model in charge of solving but not of orchestration. We introduce ATLAS, an agentic test-time scaling framework in which an LLM orchestrator owns the control loop end-to-end. Through a single action, explore, which dispatches a fresh independent solver on the original problem, the orchestrator decides whether to gather more evidence, when to stop, and how to synthesize the final answer; the action space is extensible, with each explore call optionally specifying solver, reasoning effort, or prompting strategy. We evaluate ATLAS on four benchmarks covering scientific question answering, code generation, and multimodal reasoning under a Claude Sonnet 4.6 backbone, wher

arXiv:2606.01672v1 Announce Type: new Abstract: Reinforcement learning has enabled the acquisition of impressive robotic skills, but typically requires hand-crafted reward functions that are slow to design and difficult to align with human intentions. Recent work, such as Eureka, automates reward design by using an LLM to iteratively generate and refine reward code from task descriptions. However, they rely on coarse feedback signals such as success rate, which provide little semantic insight into the learned behavior. As a result, their trained policies achieve the final goal but are frequently poorly aligned with task instructions. We introduce the Reward Design Agent (RDA), a VLM-based agentic framework that injects semantic understanding into reward design. RDA decomposes tasks, visually evaluates trajectories, summarizes failure modes, and iteratively revises reward code to better align with task instructions. Across 12 tabletop manipulation tasks from ManiSkill and 4 whole-body m

arXiv:2606.01695v1 Announce Type: new Abstract: Adversaries can implant latent harmful behavior by poisoning as few as 1% of fine-tuning examples. The contamination is invisible to every output-level defense: harmful behavior lies dormant in the model's hidden-state geometry and does not appear in generated text until contamination exceeds 7.5%. We introduce CANARY (Contamination Auditor via Neural Activation Representation Yield), a zero-label checkpoint auditor that detects this hidden shift directly from two forward passes over an unlabeled prompt set. CANARY projects the hidden-state difference through a Sparse Autoencoder, filtering style noise to isolate meaningful semantic drift. It achieves AUROC = 1.000 at 1% contamination (95% CI = [0.997, 1.000]; Cohen's d = 3.28) across four model architectures and two training paradigms, 7.5x below where any output-level method fires, with zero false positives on benign fine-tuning and full robustness to style-matching and gradient-noise a

arXiv:2606.01717v1 Announce Type: new Abstract: Instruction tuning aligns large language models, including multimodal ones, with diverse user intents, but scaling to heterogeneous mixtures is hindered by gradient interference and bandwidth-heavy synchronization. We ask whether these two bottlenecks can be addressed jointly by training parts of the mixture independently and reconciling them once in parameter space. We develop a local quadratic theory inside a shared flat basin that yields three results: weight merging produces a curvature-weighted variance reduction; PCA-aligned conflict splitting maximizes this gain along high-curvature directions; and merging additionally acts as spectral filtering with implicit norm regularization. These results directly motivate MERIT, a decentralized merge-ready instruction-tuning pipeline that estimates dataset-level gradient conflicts, partitions the mixture along the top PCA conflict axes, fine-tunes each partition independently with no inter-pa

arXiv:2606.01720v1 Announce Type: new Abstract: We study finite-sample generalization for a client-sampled distributed optimization scheme with matrix-valued parameters and orthogonalized momentum updates. The central quantity is the gap between the population and empirical objectives at the returned model when only a subset of clients participates in each round. Under independent heterogeneous client data, unequal local sample counts, and fixed aggregation weights, we derive a finite-round upper-tail guarantee from a coupled-neighbor stability recursion and a weighted concentration step. The bound keeps the client-selection counts through the amplification factor \(Y_i(\mathcal C)\); in the uniform full-participation full-batch regime, it yields \(\widetilde{\mathcal O}(n^{-1}+n^{-1/2})\) scaling whenever the horizon-dependent amplification terms are controlled. The matrix-orthogonalization rule is required to be Lipschitz along paired trajectories, a condition satisfied by regularize

arXiv:2606.01846v1 Announce Type: new Abstract: Mosquito-borne infectious diseases cause more than 700000 deaths worldwide each year. The long-term use of conventional chemical insecticides has induced serious resistance problems, creating an urgent need to develop novel, highly effective, and ecologically sustainable alternatives. While existing artificial intelligence approaches in this domain have focused primarily on activity prediction and classification, they leave a critical gap in the de~novo generation of novel molecular scaffolds. In this study, we propose Mos-Gen, a motif-aware generative collaborative framework that couples the pretrained molecular representation model Uni-Mol with a variational autoencoder (VAE), specifically tailored for the design of disulfide-containing allicin derivatives as mosquito insecticides. Among the generated candidates, fourteen compounds -- comprising nine predicted positives and five predicted negatives -- were selected for chemical synthesi

arXiv:2606.01861v1 Announce Type: new Abstract: Self-play, a type of training algorithm that enables a model to self-improve, has recently shown promising empirical results in the context of formal theorem proving using Large Language Models (LLMs). (Dong & Ma, 2025) instantiate self-play with two cooperating agents: a prover, which proves theorems, and a conjecturer, which generates new theorems as a curriculum to the prover. In this paper, we provide a theoretical framework for understanding the self-improvement capabilities of self-play algorithms for theorem proving. First, we formalize the set of theorems as a graph, with nodes as theorems and edges between pairs of theorems with similar semantics. We introduce a set of primitive assumptions that characterize the guarantees of a trained prover and how a conjecturer can access the structure of the graph. Second, we show that if the underlying graph of theorems is well-connected, then a prover-conjecturer system, where the conjectur

arXiv:2606.01868v1 Announce Type: new Abstract: Reinforcement Learning (RL) has long served as a model for goal-directed animal behavior in neuroscience. Modern deep RL has shown remarkable success across many domains, further strengthening this connection. The ability to learn abstract representations of high-dimensional state spaces underlies much of this success. However, theoretical understanding of these learned representations remains limited, hindering direct comparisons between models and animal learning. We address this gap by analyzing deep RL representations through the lens of MDP reduction theory. Investigating canonical RL algorithms in a navigation task, we find that even when performance is comparable, the value-based method (DQN) learns representations that are invariant to MDP homomorphism symmetries, while the policy-gradient method (PPO) learns representations invariant to action symmetries. These differences emerge consistently across domains, have downstream conse

arXiv:2606.01890v1 Announce Type: new Abstract: Real-world domains often contain heterogeneous tables whose headers vary while their underlying attribute semantics are shared, making it difficult to induce domain-specialized semantics from table-local evidence alone. Existing encoders model parts of this problem, but often underuse column-level value distributions and apply uniform objectives across attributes with different semantic roles. We propose NAVI, a segment-centric pretraining framework that treats each header-value pair as the unit for aggregating schema-level structural evidence and column-level distributional evidence. We realize this design through Masked Segment Modeling and Entropy-driven Segment Alignment, which jointly enforce structured header-value coupling and semantic alignment across stable and instance-specific attributes. Experiments on heterogeneous in-domain tables show improved reconstruction, semantic consistency, and downstream utility across evaluation se

arXiv:2606.01934v1 Announce Type: new Abstract: Large language models achieve remarkable performance via extended chain-of-thought (CoT) reasoning, yet this lengthy process incurs substantial inference overhead. Existing CoT compression methods struggle with inflexible manual length budgets, computationally expensive multi-stage training pipelines, and fragile scalability restricted to small models. We propose HMPO (Hybrid Median-length Policy Optimization), a cost-effective, single-stage reinforcement learning framework. HMPO efficiently compresses CoT via three synergistic components: an adaptive median-based budget derived from successful rollouts to eliminate manual tuning, a cosine-decay token reward for smooth length penalization, and a multiplicative reward formulation that substantially mitigates trivial reward hacking by strictly prioritizing answer correctness. Trained exclusively on mathematical data, HMPO generalizes seamlessly across math, code, science, and instruction-fo

arXiv:2606.01952v1 Announce Type: new Abstract: As reinforcement learning (RL) increasingly applies to sensitive domains, such as health care and recommendation systems, privacy-preserving techniques have become essential to protect users' sensitive information. We investigate privacy-preserving RL under an episodic setting, focusing on algorithms based on randomized exploration, such as Randomized Least Squares Value Iteration (RLSVI). The overall goal is to study how randomized exploration interacts with the injected noise required by privacy mechanisms. In this work, we show a new privacy analysis that characterizes how the noise in RLSVI set for exploration simultaneously provides privacy protection. Specifically, we prove that RLSVI is $(\varepsilon(\delta),\delta)$-joint differentially private in tabular MDP as is with $\varepsilon(\delta) = \frac{2AK}{H^2\log(2HSA)} + 2\sqrt{\frac{2AK\log(1/\delta)}{H^2\log(2HSA)}}$, where $S$ and $A$ are the number of states and actions respect